methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate

C19H24F2N4O4 — CID 71526408

IUPACmethyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1CC1
InChIInChI=1S/C19H24F2N4O4/c1-18(12-5-6-12,17(27)28-2)24-15(26)13-7-22-14(25-9-19(20,21)10-25)16(23-13)29-8-11-3-4-11/h7,11-12H,3-6,8-10H2,1-2H3,(H,24,26)
InChIKeyZVGNNTZBRRKTHH-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.79
Rot. Bonds8

About methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate

methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate (PubChem CID 71526408) has the molecular formula C19H24F2N4O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate
PubChem CID71526408
Molecular FormulaC19H24F2N4O4
Molecular Weight410.42 g/mol
Exact Mass410.18
IUPAC Namemethyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1CC1
InChIInChI=1S/C19H24F2N4O4/c1-18(12-5-6-12,17(27)28-2)24-15(26)13-7-22-14(25-9-19(20,21)10-25)16(23-13)29-8-11-3-4-11/h7,11-12H,3-6,8-10H2,1-2H3,(H,24,26)
InChIKeyZVGNNTZBRRKTHH-UHFFFAOYSA-N
XLogP1.79
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate (CID 71526408) is methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate is COC(=O)C(C)(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate?
The InChIKey is ZVGNNTZBRRKTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O4/c1-18(12-5-6-12,17(27)28-2)24-15(26)13-7-22-14(25-9-19(20,21)10-25)16(23-13)29-8-11-3-4-11/h7,11-12H,3-6,8-10H2,1-2H3,(H,24,26).
What are the key properties of methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate?
methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate has a molecular weight of 410.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 71526408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).